SCHEMBL25756592

SCHEMBL25756592

CC(C#N)CC(C=O)NC(=O)c1cnc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.56
SORT1 Q99523 1/20 0.56
PSMB5 P28074 1/20 0.46
CCR1 P32246 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP1 P29466 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7463182 0.87 GRN (0.68) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL12043743 0.75 GRN (0.67) GRNSORT1SMN1; SMN2NPC1RAB9A
SCHEMBL29093009 0.73 GRN (0.64) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL29093013 0.73 GRN (0.64) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL7463178 0.73 GRN (0.68) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL24283499 0.72 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL7468748 0.72 ALDH1A1 (0.54) GRNSORT1CCR1SMN1; SMN2NPC1
SCHEMBL30606650 0.72 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL24283500 0.72 GRN (1.00) GRNSORT1PSMB5CCR1SMN1; SMN2
SCHEMBL29092497 0.71 GRN (0.62) GRNSORT1PSMB5CCR1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed